N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide

C24H22Cl2N2O4S — CID 56847025

IUPACN'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O4S/c1-24(2,3)18-8-14-21(15-9-18)33(31,32)28(23(30)17-6-12-20(26)13-7-17)27-22(29)16-4-10-19(25)11-5-16/h4-15H,1-3H3,(H,27,29)
InChIKeyLDXIHGIEGAPUPF-UHFFFAOYSA-N
MW505.42 g/mol
LogP5.47
Rot. Bonds4

About N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide

N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide (PubChem CID 56847025) has the molecular formula C24H22Cl2N2O4S and a molecular weight of 505.42 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
PubChem CID56847025
Molecular FormulaC24H22Cl2N2O4S
Molecular Weight505.42 g/mol
Exact Mass504.07
IUPAC NameN'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O4S/c1-24(2,3)18-8-14-21(15-9-18)33(31,32)28(23(30)17-6-12-20(26)13-7-17)27-22(29)16-4-10-19(25)11-5-16/h4-15H,1-3H3,(H,27,29)
InChIKeyLDXIHGIEGAPUPF-UHFFFAOYSA-N
XLogP5.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N,N'-bis(4-chlorobenzoyl)benzohydrazide
CID 56847024
N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide
CID 134120408
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
N,4-ditert-butyl-N'-chlorobenzohydrazide
CID 57155431
N-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
[tert-butyl-[(4-chlorobenzoyl)amino]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
CID 3764164
N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
CID 92682052

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide (CID 56847025) is N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide is CC(C)(C)c1ccc(S(=O)(=O)N(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide?
The InChIKey is LDXIHGIEGAPUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4S/c1-24(2,3)18-8-14-21(15-9-18)33(31,32)28(23(30)17-6-12-20(26)13-7-17)27-22(29)16-4-10-19(25)11-5-16/h4-15H,1-3H3,(H,27,29).
What are the key properties of N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide?
N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide has a molecular weight of 505.42 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide is sourced from PubChem (CID 56847025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).